N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C9H16F3N3O2S — CID 55010578

IUPACN-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3O2S/c10-9(11,12)7-15(8-1-2-8)18(16,17)14-5-3-13-4-6-14/h8,13H,1-7H2
InChIKeyYFEDKRMDKGODRC-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.16
Rot. Bonds4

About N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 55010578) has the molecular formula C9H16F3N3O2S and a molecular weight of 287.31 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID55010578
Molecular FormulaC9H16F3N3O2S
Molecular Weight287.31 g/mol
Exact Mass287.09
IUPAC NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3O2S/c10-9(11,12)7-15(8-1-2-8)18(16,17)14-5-3-13-4-6-14/h8,13H,1-7H2
InChIKeyYFEDKRMDKGODRC-UHFFFAOYSA-N
XLogP0.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-Trifluoroethyl)piperazine-1-sulfonamide
CID 130344791
3-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519451
2-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519460
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010624
N-butyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251787
N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251788
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252518
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252733
N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252932
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61253719

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 55010578) is N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is YFEDKRMDKGODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2S/c10-9(11,12)7-15(8-1-2-8)18(16,17)14-5-3-13-4-6-14/h8,13H,1-7H2.
What are the key properties of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 287.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 55010578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).